SCHEMBL9472136

SCHEMBL9472136

COC(CNCc1ccc([N+](=O)[O-])cc1)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR2A P28223 1/20 0.47
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7092098 0.80 LOXL2 (0.52) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL628651 0.79 CHRM2 (0.72) CHRM2ALDH1A1PTPRFPTPN2PTPN1
SCHEMBL4469551 0.79 CHRM2 (0.58) CHRM2ALDH1A1PTPRFPTPN2PTPN1
SCHEMBL9149907 0.78 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2PTPRFPTPN2
SCHEMBL25761429 0.77 CHRM2 (0.44) CHRM2ALDH1A1SMN1; SMN2HTR2APTPRF
SCHEMBL1803792 0.76 CHRM2 (0.64) CHRM2ALDH1A1LMNASMN1; SMN2HTR2A
SCHEMBL12205665 0.76 CHRM2 (0.48) CHRM2SMN1; SMN2HTR2AMEN1KMT2A
SCHEMBL8116865 0.76 CHRM2 (0.64) CHRM2HTR2APTPRFPTPN2PTPN1
SCHEMBL11597593 0.76 CHRM2 (0.79) CHRM2ALDH1A1HTR2APTPRFPTPN2
SCHEMBL2298021 0.76 GAA (0.62) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225577-A Organic nonlinear optical material Ogata, Naoya (JP) 1993-07-06 US disclosed
US-5112906-A ORGANIC NONLINEAR OPTICAL MATERIAL Ogata, Naoya (JP) 1992-05-12 US disclosed